2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C20H22N2 — CID 46224878

IUPAC2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1ccccc1N2/C=C/c1ccccc1
InChIInChI=1S/C20H22N2/c1-21-13-12-20-18(15-21)17-9-5-6-10-19(17)22(20)14-11-16-7-3-2-4-8-16/h2-11,14,18,20H,12-13,15H2,1H3/b14-11+
InChIKeyIESQFAFNQAYROM-SDNWHVSQSA-N
MW290.41 g/mol
LogP3.97
Rot. Bonds2

About 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 46224878) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID46224878
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCN1CCC2C(C1)c1ccccc1N2/C=C/c1ccccc1
InChIInChI=1S/C20H22N2/c1-21-13-12-20-18(15-21)17-9-5-6-10-19(17)22(20)14-11-16-7-3-2-4-8-16/h2-11,14,18,20H,12-13,15H2,1H3/b14-11+
InChIKeyIESQFAFNQAYROM-SDNWHVSQSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 46224878) is 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is CN1CCC2C(C1)c1ccccc1N2/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is IESQFAFNQAYROM-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H22N2/c1-21-13-12-20-18(15-21)17-9-5-6-10-19(17)22(20)14-11-16-7-3-2-4-8-16/h2-11,14,18,20H,12-13,15H2,1H3/b14-11+.
What are the key properties of 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 290.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(E)-2-phenylethenyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).